N-[6-[2-(3-morpholin-4-ylpropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide

C20H23N5O3S — CID 25182142

IUPACN-[6-[2-(3-morpholin-4-ylpropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3ccnc(OCCCN4CCOCC4)n3)cc2s1
InChIInChI=1S/C20H23N5O3S/c1-14(26)22-20-24-17-4-3-15(13-18(17)29-20)16-5-6-21-19(23-16)28-10-2-7-25-8-11-27-12-9-25/h3-6,13H,2,7-12H2,1H3,(H,22,24,26)
InChIKeyFPKLTRMCIZMFSF-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.81
Rot. Bonds7

About N-[6-[2-(3-morpholin-4-ylpropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide

N-[6-[2-(3-morpholin-4-ylpropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide (PubChem CID 25182142) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[6-[2-(3-morpholin-4-ylpropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[2-(3-morpholin-4-ylpropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
PubChem CID25182142
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC NameN-[6-[2-(3-morpholin-4-ylpropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3ccnc(OCCCN4CCOCC4)n3)cc2s1
InChIInChI=1S/C20H23N5O3S/c1-14(26)22-20-24-17-4-3-15(13-18(17)29-20)16-5-6-21-19(23-16)28-10-2-7-25-8-11-27-12-9-25/h3-6,13H,2,7-12H2,1H3,(H,22,24,26)
InChIKeyFPKLTRMCIZMFSF-UHFFFAOYSA-N
XLogP2.81
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[6-[2-(3-morpholin-4-ylpropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(3-morpholin-4-ylpropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-[2-(3-morpholin-4-ylpropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide (CID 25182142) is N-[6-[2-(3-morpholin-4-ylpropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[2-(3-morpholin-4-ylpropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-[2-(3-morpholin-4-ylpropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3ccnc(OCCCN4CCOCC4)n3)cc2s1.
What is the InChIKey of N-[6-[2-(3-morpholin-4-ylpropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is FPKLTRMCIZMFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-14(26)22-20-24-17-4-3-15(13-18(17)29-20)16-5-6-21-19(23-16)28-10-2-7-25-8-11-27-12-9-25/h3-6,13H,2,7-12H2,1H3,(H,22,24,26).
What are the key properties of N-[6-[2-(3-morpholin-4-ylpropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?
N-[6-[2-(3-morpholin-4-ylpropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 413.50 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(3-morpholin-4-ylpropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 25182142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).